6-cyano-2,2,4,6-tetramethyl-4-[4-(oxan-2-yloxy)phenyl]octanoic acid

Systemtic Name: 6-cyano-2,2,4,6-tetramethyl-4-[4-(oxan-2-yloxy)phenyl]octanoic acid Openeye Name: 6-cyano-2,2,4,6-tetramethyl-4-(4-tetrahydropyran-2-yloxyphenyl)octanoic acid CAS Name: 6-cyano-2,2,4,6-tetramethyl-4-[4-(2-oxanyloxy)phenyl]octanoic acid IUPAC Name: 6-cyano-2,2,4,6-tetramethyl-4-[4-(oxan-2-yloxy)phenyl]octanoic acid Traditional Name: 6-cyano-2,2,4,6-tetramethyl-4-(4-tetrahydropyran-2-yloxyphenyl)caprylic acid Formula: C24H35NO4 MolecularWeight: 401.539

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(CC(C)(CC(C)(C)C(=O)O)C1=CC=C(C=C1)OC2CCCCO2)C#N

Isomeric SMILES

CCC(C)(CC(C)(CC(C)(C)C(=O)O)C1=CC=C(C=C1)OC2CCCCO2)C#N

InChI

InChI=1S/C24H35NO4/c1-6-23(4,17-25)16-24(5,15-22(2,3)21(26)27)18-10-12-19(13-11-18)29-20-9-7-8-14-28-20/h10-13,20H,6-9,14-16H2,1-5H3,(H,26,27)